2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide

C23H25FN4O3 — CID 20962383

IUPAC2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2
InChIInChI=1S/C23H25FN4O3/c1-31-19-8-3-2-5-17(19)14-25-20(29)15-28-11-9-23(10-12-28)26-21(22(30)27-23)16-6-4-7-18(24)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,25,29)(H,27,30)
InChIKeyOQNJGYNHSPYZRL-UHFFFAOYSA-N
MW424.48 g/mol
LogP1.86
Rot. Bonds6

About 2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 20962383) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID20962383
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2
InChIInChI=1S/C23H25FN4O3/c1-31-19-8-3-2-5-17(19)14-25-20(29)15-28-11-9-23(10-12-28)26-21(22(30)27-23)16-6-4-7-18(24)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,25,29)(H,27,30)
InChIKeyOQNJGYNHSPYZRL-UHFFFAOYSA-N
XLogP1.86
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 16229687
4-[2-Acetylamino-3-(4-methoxy-phenyl)-propionylamino]-piperidine-1-carboxylic acid benzylamide
CID 655415
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2117749
N-(3,4-difluorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4-diazaspiro[4.5]dec-3-en-1-yl]acetamide
CID 16062036
N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4-diazaspiro[4.5]dec-3-en-1-yl]acetamide
CID 16062666
2-Fluoro-N-{1-[(2-methoxy-benzylcarbamoyl)-methyl]-piperidin-4-yl}-benzamide
CID 9549604
N-{(2S)-1-[(2-methoxybenzyl)amino]-1-oxopropan-2-yl}-1-(L-phenylalanyl)piperidine-4-carboxamide
CID 16402447
1-Cyclopentyl-3-(4-fluorophenyl)-4-(2-methoxybenzyl)piperazine-2,5-dione
CID 3236490
1-Cycloheptyl-3-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-2,5-dione
CID 5068513
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 16229720
N-cyclobutyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide
CID 134802121
N-(2,2-difluoroethyl)-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide
CID 134803471

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 20962383) is 2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2.
What is the InChIKey of 2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is OQNJGYNHSPYZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-31-19-8-3-2-5-17(19)14-25-20(29)15-28-11-9-23(10-12-28)26-21(22(30)27-23)16-6-4-7-18(24)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,25,29)(H,27,30).
What are the key properties of 2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 424.48 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 20962383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).